SCHEMBL6918646

SCHEMBL6918646

CCCN1C[C@@H](C)N(c2c(O)cccc2Cc2ccc(C(=O)N(CC)CC)cc2)C[C@H]1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
OPRM1 P35372 2/20 0.42
OPRK1 P41145 2/20 0.42
OPRD1 P41143 3/20 0.40
CYP2C9 P11712 3/20 0.40
HPGD P15428 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CYP2C19 P33261 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8004084 0.89 OPRD1 (0.37) CYP1A2CYP3A4OPRM1OPRK1OPRD1
SCHEMBL7993545 0.88 CYP3A4 (0.54) CYP1A2CYP3A4OPRM1OPRK1OPRD1
SCHEMBL4591245 0.88 CYP3A4 (0.54) CYP1A2CYP3A4OPRM1OPRK1OPRD1
SCHEMBL8009424 0.88 CYP3A4 (0.54) CYP1A2CYP3A4OPRM1OPRK1OPRD1
SCHEMBL8002856 0.88 CYP3A4 (0.54) CYP1A2CYP3A4OPRM1OPRK1OPRD1
SCHEMBL5311342 0.82 OPRD1 (0.40) CYP1A2CYP3A4OPRM1OPRK1OPRD1
SCHEMBL4575462 0.82 OPRD1 (0.40) CYP1A2CYP3A4OPRM1OPRK1OPRD1
SCHEMBL8145779 0.82 OPRD1 (0.40) CYP1A2CYP3A4OPRM1OPRK1OPRD1
SCHEMBL6246739 0.72 HSP90AA1 (0.56) CYP1A2HPGD
SCHEMBL4599120 0.71 OPRD1 (0.44) OPRD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1003373-A4 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS INC (US) 2000-09-20 EP claimed
EP-1003373-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS, INC. (US) 2000-05-31 EP claimed
WO-1999001033-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS, INC. (US) 1999-01-14 WO claimed
WO-2003057223-A9 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS INC (US) 2004-04-29 WO disclosed
EP-1003373-A4 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS INC (US) 2000-09-20 EP disclosed
EP-0938317-A4 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS INC (US) 2000-08-23 EP disclosed
EP-1003373-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS, INC. (US) 2000-05-31 EP disclosed
EP-0938317-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS, INC. (US) 1999-09-01 EP disclosed
WO-1999001033-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION AND ATTENDANT SIDE EFFECTS OF MU OPIOID COMPOUNDS DELTA PHARMACEUTICALS, INC. (US) 1999-01-14 WO disclosed
WO-1997046240-A1 COMPOSITIONS AND METHODS FOR REDUCING RESPIRATORY DEPRESSION DELTA PHARMACEUTICALS, INC. (US) 1997-12-11 WO disclosed